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1094404-16-6 | [1-(3-Chloro-phenyl)-ethylamino]-acetic acid
CAS No: 1094404-16-6 Catalog No: AG01FAJK MDL No:
Product Description
Catalog Number:
AG01FAJK
Chemical Name:
[1-(3-Chloro-phenyl)-ethylamino]-acetic acid
CAS Number:
1094404-16-6
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
2-[1-(3-chlorophenyl)ethylamino]acetic acid
InChI:
InChI=1S/C10H12ClNO2/c1-7(12-6-10(13)14)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChI Key:
UJQGOTPKIGGGMD-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(c1cccc(c1)Cl)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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